Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34065
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H COSY' . . . 34065 1
2 '2D 1H-1H TOCSY' . . . 34065 1
3 '2D 1H-1H NOESY' . . . 34065 1
4 '2D 1H-13C HSQC aliphatic' . . . 34065 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ACE H1 H 1 2.063 0.004 . 1 . . . . A 1 ACE H1 . 34065 1
2 . 1 1 1 1 ACE H2 H 1 2.063 0.004 . 1 . . . . A 1 ACE H2 . 34065 1
3 . 1 1 1 1 ACE H3 H 1 2.063 0.004 . 1 . . . . A 1 ACE H3 . 34065 1
4 . 1 1 1 1 ACE CH3 C 13 25.088 0.000 . 1 . . . . A 1 ACE CH3 . 34065 1
5 . 1 1 2 2 AIB H H 1 8.404 0.006 . 1 . . . . A 2 AIB H . 34065 1
6 . 1 1 2 2 AIB CB1 C 13 25.727 0.000 . 1 . . . . A 2 AIB CB1 . 34065 1
7 . 1 1 2 2 AIB CB2 C 13 28.448 0.000 . 1 . . . . A 2 AIB CB2 . 34065 1
8 . 1 1 2 2 AIB HB11 H 1 1.444 0.006 . 1 . . . . A 2 AIB HB11 . 34065 1
9 . 1 1 2 2 AIB HB12 H 1 1.444 0.006 . 1 . . . . A 2 AIB HB12 . 34065 1
10 . 1 1 2 2 AIB HB13 H 1 1.444 0.006 . 1 . . . . A 2 AIB HB13 . 34065 1
11 . 1 1 2 2 AIB HB21 H 1 1.474 0.007 . 1 . . . . A 2 AIB HB21 . 34065 1
12 . 1 1 2 2 AIB HB22 H 1 1.474 0.007 . 1 . . . . A 2 AIB HB22 . 34065 1
13 . 1 1 2 2 AIB HB23 H 1 1.474 0.007 . 1 . . . . A 2 AIB HB23 . 34065 1
14 . 1 1 3 3 ASN H H 1 8.436 0.002 . 1 . . . . A 3 ASN H . 34065 1
15 . 1 1 3 3 ASN HA H 1 4.354 0.002 . 1 . . . . A 3 ASN HA . 34065 1
16 . 1 1 3 3 ASN HB2 H 1 2.825 0.003 . 2 . . . . A 3 ASN HB2 . 34065 1
17 . 1 1 3 3 ASN HB3 H 1 2.825 0.003 . 2 . . . . A 3 ASN HB3 . 34065 1
18 . 1 1 3 3 ASN HD21 H 1 6.867 0.003 . 2 . . . . A 3 ASN HD21 . 34065 1
19 . 1 1 3 3 ASN HD22 H 1 7.606 0.002 . 2 . . . . A 3 ASN HD22 . 34065 1
20 . 1 1 3 3 ASN CA C 13 55.352 0.000 . 1 . . . . A 3 ASN CA . 34065 1
21 . 1 1 3 3 ASN CB C 13 37.898 0.000 . 1 . . . . A 3 ASN CB . 34065 1
22 . 1 1 4 4 ILE H H 1 7.951 0.003 . 1 . . . . A 4 ILE H . 34065 1
23 . 1 1 4 4 ILE HA H 1 3.990 0.003 . 1 . . . . A 4 ILE HA . 34065 1
24 . 1 1 4 4 ILE HB H 1 2.078 0.003 . 1 . . . . A 4 ILE HB . 34065 1
25 . 1 1 4 4 ILE HG12 H 1 1.290 0.004 . 2 . . . . A 4 ILE HG12 . 34065 1
26 . 1 1 4 4 ILE HG13 H 1 1.585 0.004 . 2 . . . . A 4 ILE HG13 . 34065 1
27 . 1 1 4 4 ILE HG21 H 1 0.949 0.003 . 1 . . . . A 4 ILE HG21 . 34065 1
28 . 1 1 4 4 ILE HG22 H 1 0.949 0.003 . 1 . . . . A 4 ILE HG22 . 34065 1
29 . 1 1 4 4 ILE HG23 H 1 0.949 0.003 . 1 . . . . A 4 ILE HG23 . 34065 1
30 . 1 1 4 4 ILE HD11 H 1 0.918 0.002 . 1 . . . . A 4 ILE HD11 . 34065 1
31 . 1 1 4 4 ILE HD12 H 1 0.918 0.002 . 1 . . . . A 4 ILE HD12 . 34065 1
32 . 1 1 4 4 ILE HD13 H 1 0.918 0.002 . 1 . . . . A 4 ILE HD13 . 34065 1
33 . 1 1 4 4 ILE CA C 13 62.634 0.000 . 1 . . . . A 4 ILE CA . 34065 1
34 . 1 1 4 4 ILE CB C 13 38.062 0.000 . 1 . . . . A 4 ILE CB . 34065 1
35 . 1 1 4 4 ILE CG1 C 13 28.086 0.002 . 1 . . . . A 4 ILE CG1 . 34065 1
36 . 1 1 4 4 ILE CG2 C 13 17.484 0.000 . 1 . . . . A 4 ILE CG2 . 34065 1
37 . 1 1 4 4 ILE CD1 C 13 12.824 0.000 . 1 . . . . A 4 ILE CD1 . 34065 1
38 . 1 1 5 5 ILE H H 1 7.368 0.004 . 1 . . . . A 5 ILE H . 34065 1
39 . 1 1 5 5 ILE HA H 1 4.158 0.001 . 1 . . . . A 5 ILE HA . 34065 1
40 . 1 1 5 5 ILE HB H 1 1.966 0.003 . 1 . . . . A 5 ILE HB . 34065 1
41 . 1 1 5 5 ILE HG12 H 1 1.337 0.004 . 2 . . . . A 5 ILE HG12 . 34065 1
42 . 1 1 5 5 ILE HG13 H 1 1.580 0.004 . 2 . . . . A 5 ILE HG13 . 34065 1
43 . 1 1 5 5 ILE HG21 H 1 0.938 0.004 . 1 . . . . A 5 ILE HG21 . 34065 1
44 . 1 1 5 5 ILE HG22 H 1 0.938 0.004 . 1 . . . . A 5 ILE HG22 . 34065 1
45 . 1 1 5 5 ILE HG23 H 1 0.938 0.004 . 1 . . . . A 5 ILE HG23 . 34065 1
46 . 1 1 5 5 ILE HD11 H 1 0.832 0.003 . 1 . . . . A 5 ILE HD11 . 34065 1
47 . 1 1 5 5 ILE HD12 H 1 0.832 0.003 . 1 . . . . A 5 ILE HD12 . 34065 1
48 . 1 1 5 5 ILE HD13 H 1 0.832 0.003 . 1 . . . . A 5 ILE HD13 . 34065 1
49 . 1 1 5 5 ILE CA C 13 61.908 0.000 . 1 . . . . A 5 ILE CA . 34065 1
50 . 1 1 5 5 ILE CB C 13 38.472 0.000 . 1 . . . . A 5 ILE CB . 34065 1
51 . 1 1 5 5 ILE CG1 C 13 27.990 0.004 . 1 . . . . A 5 ILE CG1 . 34065 1
52 . 1 1 5 5 ILE CG2 C 13 17.693 0.000 . 1 . . . . A 5 ILE CG2 . 34065 1
53 . 1 1 5 5 ILE CD1 C 13 12.032 0.000 . 1 . . . . A 5 ILE CD1 . 34065 1
54 . 1 1 6 6 AIB H H 1 8.962 0.002 . 1 . . . . A 6 AIB H . 34065 1
55 . 1 1 6 6 AIB CB1 C 13 25.700 0.000 . 1 . . . . A 6 AIB CB1 . 34065 1
56 . 1 1 6 6 AIB CB2 C 13 21.878 0.000 . 1 . . . . A 6 AIB CB2 . 34065 1
57 . 1 1 6 6 AIB HB11 H 1 1.442 0.004 . 1 . . . . A 6 AIB HB11 . 34065 1
58 . 1 1 6 6 AIB HB12 H 1 1.442 0.004 . 1 . . . . A 6 AIB HB12 . 34065 1
59 . 1 1 6 6 AIB HB13 H 1 1.442 0.004 . 1 . . . . A 6 AIB HB13 . 34065 1
60 . 1 1 6 6 AIB HB21 H 1 1.752 0.003 . 1 . . . . A 6 AIB HB21 . 34065 1
61 . 1 1 6 6 AIB HB22 H 1 1.752 0.003 . 1 . . . . A 6 AIB HB22 . 34065 1
62 . 1 1 6 6 AIB HB23 H 1 1.752 0.003 . 1 . . . . A 6 AIB HB23 . 34065 1
63 . 1 1 7 7 PRO HA H 1 4.513 0.003 . 1 . . . . A 7 PRO HA . 34065 1
64 . 1 1 7 7 PRO HB2 H 1 1.834 0.005 . 2 . . . . A 7 PRO HB2 . 34065 1
65 . 1 1 7 7 PRO HB3 H 1 2.377 0.002 . 2 . . . . A 7 PRO HB3 . 34065 1
66 . 1 1 7 7 PRO HG2 H 1 1.987 0.003 . 2 . . . . A 7 PRO HG2 . 34065 1
67 . 1 1 7 7 PRO HG3 H 1 1.987 0.003 . 2 . . . . A 7 PRO HG3 . 34065 1
68 . 1 1 7 7 PRO HD2 H 1 3.411 0.002 . 2 . . . . A 7 PRO HD2 . 34065 1
69 . 1 1 7 7 PRO HD3 H 1 3.843 0.003 . 2 . . . . A 7 PRO HD3 . 34065 1
70 . 1 1 7 7 PRO CA C 13 65.596 0.000 . 1 . . . . A 7 PRO CA . 34065 1
71 . 1 1 7 7 PRO CB C 13 30.987 0.006 . 1 . . . . A 7 PRO CB . 34065 1
72 . 1 1 7 7 PRO CG C 13 28.312 0.000 . 1 . . . . A 7 PRO CG . 34065 1
73 . 1 1 7 7 PRO CD C 13 52.585 0.006 . 1 . . . . A 7 PRO CD . 34065 1
74 . 1 1 8 8 LEU H H 1 7.647 0.003 . 1 . . . . A 8 LEU H . 34065 1
75 . 1 1 8 8 LEU HA H 1 4.185 0.002 . 1 . . . . A 8 LEU HA . 34065 1
76 . 1 1 8 8 LEU HB2 H 1 1.616 0.004 . 2 . . . . A 8 LEU HB2 . 34065 1
77 . 1 1 8 8 LEU HB3 H 1 1.945 0.003 . 2 . . . . A 8 LEU HB3 . 34065 1
78 . 1 1 8 8 LEU HG H 1 1.876 0.004 . 1 . . . . A 8 LEU HG . 34065 1
79 . 1 1 8 8 LEU HD11 H 1 0.940 0.003 . 2 . . . . A 8 LEU HD11 . 34065 1
80 . 1 1 8 8 LEU HD12 H 1 0.940 0.003 . 2 . . . . A 8 LEU HD12 . 34065 1
81 . 1 1 8 8 LEU HD13 H 1 0.940 0.003 . 2 . . . . A 8 LEU HD13 . 34065 1
82 . 1 1 8 8 LEU HD21 H 1 1.020 0.004 . 2 . . . . A 8 LEU HD21 . 34065 1
83 . 1 1 8 8 LEU HD22 H 1 1.020 0.004 . 2 . . . . A 8 LEU HD22 . 34065 1
84 . 1 1 8 8 LEU HD23 H 1 1.020 0.004 . 2 . . . . A 8 LEU HD23 . 34065 1
85 . 1 1 8 8 LEU CA C 13 56.308 0.000 . 1 . . . . A 8 LEU CA . 34065 1
86 . 1 1 8 8 LEU CB C 13 41.894 0.001 . 1 . . . . A 8 LEU CB . 34065 1
87 . 1 1 8 8 LEU CG C 13 27.175 0.000 . 1 . . . . A 8 LEU CG . 34065 1
88 . 1 1 8 8 LEU CD1 C 13 22.775 0.000 . 1 . . . . A 8 LEU CD1 . 34065 1
89 . 1 1 8 8 LEU CD2 C 13 25.673 0.000 . 1 . . . . A 8 LEU CD2 . 34065 1
90 . 1 1 9 9 LEU H H 1 7.042 0.003 . 1 . . . . A 9 LEU H . 34065 1
91 . 1 1 9 9 LEU HA H 1 4.446 0.003 . 1 . . . . A 9 LEU HA . 34065 1
92 . 1 1 9 9 LEU HB2 H 1 1.684 0.002 . 2 . . . . A 9 LEU HB2 . 34065 1
93 . 1 1 9 9 LEU HB3 H 1 1.684 0.002 . 2 . . . . A 9 LEU HB3 . 34065 1
94 . 1 1 9 9 LEU HG H 1 1.684 0.003 . 1 . . . . A 9 LEU HG . 34065 1
95 . 1 1 9 9 LEU HD11 H 1 0.850 0.002 . 2 . . . . A 9 LEU HD11 . 34065 1
96 . 1 1 9 9 LEU HD12 H 1 0.850 0.002 . 2 . . . . A 9 LEU HD12 . 34065 1
97 . 1 1 9 9 LEU HD13 H 1 0.850 0.002 . 2 . . . . A 9 LEU HD13 . 34065 1
98 . 1 1 9 9 LEU HD21 H 1 0.895 0.002 . 2 . . . . A 9 LEU HD21 . 34065 1
99 . 1 1 9 9 LEU HD22 H 1 0.895 0.002 . 2 . . . . A 9 LEU HD22 . 34065 1
100 . 1 1 9 9 LEU HD23 H 1 0.895 0.002 . 2 . . . . A 9 LEU HD23 . 34065 1
101 . 1 1 9 9 LEU CA C 13 53.823 0.000 . 1 . . . . A 9 LEU CA . 34065 1
102 . 1 1 9 9 LEU CB C 13 42.176 0.000 . 1 . . . . A 9 LEU CB . 34065 1
103 . 1 1 9 9 LEU CG C 13 27.124 0.000 . 1 . . . . A 9 LEU CG . 34065 1
104 . 1 1 9 9 LEU CD1 C 13 23.139 0.000 . 1 . . . . A 9 LEU CD1 . 34065 1
105 . 1 1 9 9 LEU CD2 C 13 25.546 0.000 . 1 . . . . A 9 LEU CD2 . 34065 1
106 . 1 1 10 10 AIB H H 1 7.589 0.004 . 1 . . . . A 10 AIB H . 34065 1
107 . 1 1 10 10 AIB CB1 C 13 27.876 0.000 . 1 . . . . A 10 AIB CB1 . 34065 1
108 . 1 1 10 10 AIB CB2 C 13 25.538 0.000 . 1 . . . . A 10 AIB CB2 . 34065 1
109 . 1 1 10 10 AIB HB11 H 1 1.467 0.004 . 1 . . . . A 10 AIB HB11 . 34065 1
110 . 1 1 10 10 AIB HB12 H 1 1.467 0.004 . 1 . . . . A 10 AIB HB12 . 34065 1
111 . 1 1 10 10 AIB HB13 H 1 1.467 0.004 . 1 . . . . A 10 AIB HB13 . 34065 1
112 . 1 1 10 10 AIB HB21 H 1 1.500 0.002 . 1 . . . . A 10 AIB HB21 . 34065 1
113 . 1 1 10 10 AIB HB22 H 1 1.500 0.002 . 1 . . . . A 10 AIB HB22 . 34065 1
114 . 1 1 10 10 AIB HB23 H 1 1.500 0.002 . 1 . . . . A 10 AIB HB23 . 34065 1
115 . 1 1 11 11 PRO HA H 1 4.515 0.002 . 1 . . . . A 11 PRO HA . 34065 1
116 . 1 1 11 11 PRO HB2 H 1 1.764 0.005 . 2 . . . . A 11 PRO HB2 . 34065 1
117 . 1 1 11 11 PRO HB3 H 1 2.377 0.002 . 2 . . . . A 11 PRO HB3 . 34065 1
118 . 1 1 11 11 PRO HG2 H 1 1.923 0.003 . 2 . . . . A 11 PRO HG2 . 34065 1
119 . 1 1 11 11 PRO HG3 H 1 1.964 0.005 . 2 . . . . A 11 PRO HG3 . 34065 1
120 . 1 1 11 11 PRO HD2 H 1 3.341 0.002 . 2 . . . . A 11 PRO HD2 . 34065 1
121 . 1 1 11 11 PRO HD3 H 1 3.820 0.003 . 2 . . . . A 11 PRO HD3 . 34065 1
122 . 1 1 11 11 PRO CA C 13 66.882 0.000 . 1 . . . . A 11 PRO CA . 34065 1
123 . 1 1 11 11 PRO CB C 13 31.610 0.006 . 1 . . . . A 11 PRO CB . 34065 1
124 . 1 1 11 11 PRO CG C 13 27.959 0.006 . 1 . . . . A 11 PRO CG . 34065 1
125 . 1 1 11 11 PRO CD C 13 51.873 0.002 . 1 . . . . A 11 PRO CD . 34065 1
126 . 1 1 12 12 DCL C C 13 67.715 0.000 . 1 . . . . A 12 DCL C . 34065 1
127 . 1 1 12 12 DCL CA C 13 52.848 0.000 . 1 . . . . A 12 DCL CA . 34065 1
128 . 1 1 12 12 DCL CB C 13 41.425 0.001 . 1 . . . . A 12 DCL CB . 34065 1
129 . 1 1 12 12 DCL CD1 C 13 23.713 0.000 . 1 . . . . A 12 DCL CD1 . 34065 1
130 . 1 1 12 12 DCL CD2 C 13 26.065 0.000 . 1 . . . . A 12 DCL CD2 . 34065 1
131 . 1 1 12 12 DCL CG C 13 27.251 0.000 . 1 . . . . A 12 DCL CG . 34065 1
132 . 1 1 12 12 DCL HA H 1 4.023 0.002 . 1 . . . . A 12 DCL HA . 34065 1
133 . 1 1 12 12 DCL HB1 H 1 1.528 0.004 . 2 . . . . A 12 DCL HB1 . 34065 1
134 . 1 1 12 12 DCL HB2 H 1 1.269 0.004 . 2 . . . . A 12 DCL HB2 . 34065 1
135 . 1 1 12 12 DCL HC1 H 1 3.519 0.001 . 2 . . . . A 12 DCL HC1 . 34065 1
136 . 1 1 12 12 DCL HC2 H 1 3.550 0.003 . 2 . . . . A 12 DCL HC2 . 34065 1
137 . 1 1 12 12 DCL HD11 H 1 0.889 0.005 . 2 . . . . A 12 DCL HD11 . 34065 1
138 . 1 1 12 12 DCL HD12 H 1 0.889 0.005 . 2 . . . . A 12 DCL HD12 . 34065 1
139 . 1 1 12 12 DCL HD13 H 1 0.889 0.005 . 2 . . . . A 12 DCL HD13 . 34065 1
140 . 1 1 12 12 DCL HD21 H 1 0.954 0.003 . 2 . . . . A 12 DCL HD21 . 34065 1
141 . 1 1 12 12 DCL HD22 H 1 0.954 0.003 . 2 . . . . A 12 DCL HD22 . 34065 1
142 . 1 1 12 12 DCL HD23 H 1 0.954 0.003 . 2 . . . . A 12 DCL HD23 . 34065 1
143 . 1 1 12 12 DCL HG H 1 1.595 0.003 . 1 . . . . A 12 DCL HG . 34065 1
144 . 1 1 12 12 DCL HN1 H 1 7.639 0.004 . 1 . . . . A 12 DCL HN1 . 34065 1
stop_
save_